⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16465307 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL4816978 | 0.80 | — | — | |
| SCHEMBL11836118 | 0.76 | INPP5A (0.33) | — | |
| SCHEMBL910984 | 0.73 | — | — | |
| SCHEMBL910281 | 0.73 | — | — | |
| SCHEMBL910824 | 0.72 | — | — | |
| SCHEMBL11224698 | 0.71 | — | — | |
| SCHEMBL5237482 | 0.69 | — | — | |
| SCHEMBL6589362 | 0.69 | — | — | |
| SCHEMBL6590691 | 0.67 | CA1 (0.34) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117062815-A | VMAT2 inhibitors and methods of use | 纽罗克里生物科学有限公司 | 2023-11-14 | — | — | CN | claimed |
| EP-4273147-A1 | SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES | Bayer Aktiengesellschaft (DE) | 2023-11-08 | — | — | EP | claimed |
| EP-4168409-A1 | VMAT2 INHIBITORS AND METHODS OF USE | Neurocrine Biosciences, Inc. (US) | 2023-04-26 | — | — | EP | claimed |
| EP-1254907-B1 | PYRROLOPYRIDAZINE COMPOUND | SANKYO CO (JP) | 2007-05-09 | — | — | EP | claimed |
| US-6734181-B2 | GASTRIC ACID SECRETORY INHIBITION ACTIVITY, GASTRIC MUCOUS MEMBRANE PROTECTION ACTIVITY; TREATMENT OF ULCERS AND HELICOBACTER PYLORI INFECIONS | SANKYO COMPANY, LIMITED (JP) | 2004-05-11 | — | — | US | claimed |
| US-20040014762-A1 | Pyrrolopyridazine compounds | SANKYO COMPANY, LIMITED (JP) | 2004-01-22 | — | — | US | claimed |
| EP-1254907-A1 | PYRROLOPYRIDAZINE COMPOUND | Sankyo Company, Limited (JP) | 2002-11-06 | — | — | EP | claimed |
| US-20240010647-A1 | SUBSTITUTED PYRIDO[2,1-a]ISOQUINOLINES AS VMAT2 INHIBITORS | NEUROCRINE BIOSCIENCES, INC. | 2024-01-11 | — | — | US | disclosed |
| CN-117062815-A | VMAT2 inhibitors and methods of use | 纽罗克里生物科学有限公司 | 2023-11-14 | — | — | CN | disclosed |
| EP-4273147-A1 | SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES | Bayer Aktiengesellschaft (DE) | 2023-11-08 | — | — | EP | disclosed |
| US-11718618-B2 | Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors | NEUROCRINE BIOSCIENCES, INC. (US) | 2023-08-08 | — | — | US | disclosed |
| US-20230159528-A1 | VMAT2 INHIBITORS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. | 2023-05-25 | — | — | US | disclosed |
| EP-4168409-A1 | VMAT2 INHIBITORS AND METHODS OF USE | Neurocrine Biosciences, Inc. (US) | 2023-04-26 | — | — | EP | disclosed |
| US-6734181-B2 | GASTRIC ACID SECRETORY INHIBITION ACTIVITY, GASTRIC MUCOUS MEMBRANE PROTECTION ACTIVITY; TREATMENT OF ULCERS AND HELICOBACTER PYLORI INFECIONS | SANKYO COMPANY, LIMITED (JP) | 2004-05-11 | — | — | US | disclosed |
| US-20040014762-A1 | Pyrrolopyridazine compounds | SANKYO COMPANY, LIMITED (JP) | 2004-01-22 | — | — | US | disclosed |
| EP-1254907-A1 | PYRROLOPYRIDAZINE COMPOUND | Sankyo Company, Limited (JP) | 2002-11-06 | — | — | EP | disclosed |
| EP-0632052-B1 | Endothelin antagonistic peptides | BANYU PHARMA CO LTD (JP) | 1998-09-30 | — | — | EP | disclosed |
| US-5494897-A | PENTAPEPTIDES, LINEAR OR CYCLIC | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1996-02-27 | — | — | US | disclosed |
| EP-0632052-A1 | Endothelin antagonistic peptides | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1995-01-04 | — | — | EP | disclosed |
| US-4273725-A | Process for preparing chlorothiolformates | PPG INDUSTRIES, INC. (US) | 1981-06-16 | — | — | US | disclosed |